Xinyan Wang

7PUBLICATIONS
16CO-AUTHORS
Computational chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Structural biology (incl. macromolecular modelling)Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Characterisation of biological macromolecules
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Publications (7)

|May 28, 2026
Efficient and Precise Force Field Optimization for Biomolecules Using DPA-3.

|May 15, 2026
Terminal-Flip Monte Carlo: Accelerating the Convergence of Molecular Dynamics and Alchemical Free Energy Calculations.

|Aug 11, 2025
Observation of dendrite formation at Li metal-electrolyte interface by a machine-learning enhanced constant potential framework.

Taiping Hu, Haichao Huang, Guobing Zhou

|Feb 09, 2023
Capturing coacervate formation and protein partition by molecular dynamics simulation.

Yang Liu, Xinyan Wang, Zhili Wan

|Nov 14, 2022
Flexible Polarizable Water Model Parameterized via Gaussian Process Regression.

Xinyan Wang, Ying-Lung Steve Tse

|Sep 27, 2022
Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.

Nannan Su, Wenxuan Zhen, Heng Zhang

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Frequent Collaborators

3 joint publications

Ying-Lung Steve Tse

2 joint publications

Hang Zheng

1 joint publications

Jonathan Wong

1 joint publications

Ying-Yeung Yeung